Vitas-M small molecule compound

dimethyl 2-{[(4-ethylpiperazin-1-yl)carbonothioyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STL163610
SMILES CCN1CCN(CC1)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H23N3O4S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O4S/c1-4-19-7-9-20(10-8-19)17(25)18-14-11-12(15(21)23-2)5-6-13(14)16(22)24-3/h5-6,11H,4,7-10H2,1-3H3,(H,18,25)
InChIKey
LNYORWBKWKWCQM-UHFFFAOYSA-N
Synonyms
892271-70-4
892271704
CCN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC
dimethyl2(((4ethylpiperazin1yl)carbonothioyl)amino)benzene14dicarboxylate
DIMETHYL2(((4ETHYLPIPERAZIN1YL)CARBONOTHIOYL)AMINO)TEREPHTHALATE
dimethyl2((4ethylpiperazine1carbothioyl)amino)benzene14dicarboxylate
InChI=1SC17H23N3O4Sc14197920(10819)17(25)18141112(15(21)232)5613(14)16(22)243h5611H4710H213H3(H1825)
MFCD06150121
ZINC000003906960
ZINC3906960

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.